(3,3-dimethyl-2-oxidanylidene-butyl) 5-morpholin-4-yl-4-phenyl-thiophene-2-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 5-morpholin-4-yl-4-phenyl-thiophene-2-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 5-morpholino-4-phenyl-thiophene-2-carboxylate CAS Name: 5-(4-morpholinyl)-4-phenyl-2-thiophenecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate Traditional Name: 5-morpholino-4-phenyl-thiophene-2-carboxylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC(=C(S1)N2CCOCC2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC(=C(S1)N2CCOCC2)C3=CC=CC=C3

InChI

InChI=1S/C21H25NO4S/c1-21(2,3)18(23)14-26-20(24)17-13-16(15-7-5-4-6-8-15)19(27-17)22-9-11-25-12-10-22/h4-8,13H,9-12,14H2,1-3H3